SCHEMBL1153680

SCHEMBL1153680

O=C(O)c1ccc(-c2ccc(CCNC(=O)c3cc(Cl)ccc3OCc3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.52
MRGPRX4 Q96LA9 10/20 0.51
LRRK2 Q5S007 2/20 0.51
AKR1C3 P42330 1/20 0.50
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.48
PTGER1 P34995 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10181116 0.90 LRRK2 (0.50) MRGPRX4LRRK2AKR1C3LMNAHPGD
SCHEMBL1154081 0.89 AKR1C3 (0.52) NR4A2MRGPRX4AKR1C3DNMT3APTGER1
SCHEMBL10305303 0.87 AKR1C3 (0.52) MRGPRX4AKR1C3LMNADNMT3APTGER1
SCHEMBL1154137 0.87 AKR1C3 (0.59) MRGPRX4AKR1C3DNMT3APTGER1
SCHEMBL1153994 0.86 AKR1C3 (0.51) MRGPRX4AKR1C3DNMT3APTGER1
SCHEMBL1154192 0.86 DNMT3A (0.53) MRGPRX4AKR1C3DNMT3APTGER1
SCHEMBL1154383 0.85 DNMT3A (0.56) MRGPRX4AKR1C3DNMT3APTGER1
SCHEMBL1153664 0.85 PTGER4 (0.59) MRGPRX4LRRK2AKR1C3LMNADNMT3A
SCHEMBL1153860 0.84 MRGPRX4 (0.50) MRGPRX4AKR1C3DNMT3APTGER1
SCHEMBL1154704 0.84 AKR1C3 (0.50) MRGPRX4AKR1C3LMNADNMT3APTGER1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US claimed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP claimed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US claimed
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP claimed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO claimed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110039851-A1 CCR10 ANTAGONISTS CCR10, CCR1, CCR4 NR4A2 924/4885MRGPRX4 64/4885LRRK2 1631/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.